[AMBER] prep files ATP-MG++ and for phosphorylated threonine

From: Nitu Bansal <nitubansal1986.gmail.com>
Date: Mon, 6 Jun 2011 05:12:37 +0900

I am trying to simulate a phophopeptide that includes a phosphorylated
threonine residue. By following
the mailing list I found an announcement for the production of AMBER force
field parameters for
phosphorylated amino acids in different protonation states. These parameters
has been produced for
phosphoserine, phosphothreonine, phosphotyrosine and phosphohistidine. They
also provided the web
link ( http://pharmacy.man.ac.uk/amber/) for downloading these parameters.
Unfortunately those are not loading although we have tried it by changing
the residue name of TPO by T1P in our pdb, still the error is same
Please send me the parameters file for TPO, ATP-MG++ (prep and frcmod)
Thank you

Nitu Bansal
M.S Pharm
Research Scholar
Department of Pharmacoinformatics
S.A.S Nagar NIPER Mohali (Chandigarh)
AMBER mailing list
Received on Sun Jun 05 2011 - 13:30:02 PDT
Custom Search